Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2068661Generated: November 3, 2026

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → (4,4-Difluoro-azepan-1-yl)-(5-phenyl-thiophen-3-yl)-methanone

https://huagongshe.com/reaction/2068661

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant5-Phenylthiophene-3-carboxylic acidHCID 16227221—
Reactant4,4-Difluoroazepane hydrochlorideHCID 56924311—
SolventAcetonitrileHCID 6342—
Product(4,4-Difluoro-azepan-1-yl)-(5-phenyl-thiophen-3-yl)-methanoneHCID 4422668242%

Reaction Steps

5-Phenyl-thiophene-3-carboxylic acid (0.20 g, 1.11 mmol) and 4,4-difluoro-azepane hydrochloride (0.19 g, 1.11 mmol) were stirred in acetonitrile (10 mL) with silica-supported diethylamine (1.32 mmol/g, 2.5 g) and HATU (0.40 g, 1.11 mmol) for 18 hours. The reaction mixture was filtered and the solvent was removed by evaporation then the crude material was purified by HPLC, eluting with 10%-98% acetonitrile in water (0.1% formic acid) over 20 minutes. The fractions containing the desired product were evaporated to give the title compound as a gum (0.15 g). LCMS m/z 322.19 [M+H]+ R.T.=11.14 min (Analytical Method 2).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08299063B2
Source datasetuspto-grants-2012_10
ORD IDord-f0c5e05aba7742eb82911aec9034ccb2
Source noteuspto-grants-2012_10